1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene

C17H16Cl2 — CID 123279272

IUPAC1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESClc1ccc(CC2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C17H16Cl2/c18-16-9-8-12(11-17(16)19)10-14-6-3-5-13-4-1-2-7-15(13)14/h1-2,4,7-9,11,14H,3,5-6,10H2
InChIKeyZVSCZJALHKKCHI-UHFFFAOYSA-N
MW291.22 g/mol
LogP5.66
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene

1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 123279272) has the molecular formula C17H16Cl2 and a molecular weight of 291.22 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID123279272
Molecular FormulaC17H16Cl2
Molecular Weight291.22 g/mol
Exact Mass290.06
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESClc1ccc(CC2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C17H16Cl2/c18-16-9-8-12(11-17(16)19)10-14-6-3-5-13-4-1-2-7-15(13)14/h1-2,4,7-9,11,14H,3,5-6,10H2
InChIKeyZVSCZJALHKKCHI-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.22
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 123279272) is 1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is Clc1ccc(CC2CCCc3ccccc32)cc1Cl.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ZVSCZJALHKKCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2/c18-16-9-8-12(11-17(16)19)10-14-6-3-5-13-4-1-2-7-15(13)14/h1-2,4,7-9,11,14H,3,5-6,10H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 291.22 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 123279272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).